3-(3-oxooxazinan-2-yl)propanal

C7H11NO3 — CID 105430622

IUPAC3-(3-oxooxazinan-2-yl)propanal
SMILESO=CCCN1OCCCC1=O
InChIInChI=1S/C7H11NO3/c9-5-2-4-8-7(10)3-1-6-11-8/h5H,1-4,6H2
InChIKeyUCZHVUKCYMKCFX-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.13
Rot. Bonds3

About 3-(3-oxooxazinan-2-yl)propanal

3-(3-oxooxazinan-2-yl)propanal (PubChem CID 105430622) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(3-oxooxazinan-2-yl)propanal.

Molecular Properties

Compound Name3-(3-oxooxazinan-2-yl)propanal
PubChem CID105430622
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(3-oxooxazinan-2-yl)propanal
SMILESO=CCCN1OCCCC1=O
InChIInChI=1S/C7H11NO3/c9-5-2-4-8-7(10)3-1-6-11-8/h5H,1-4,6H2
InChIKeyUCZHVUKCYMKCFX-UHFFFAOYSA-N
XLogP0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxypropyl)oxazinan-3-one
CID 105431183
2-(3-aminopropyl)oxazinan-3-one
CID 105430957
2-(3-hydroxybutyl)oxazinan-3-one
CID 105435473
3-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)propanal
CID 105434715
4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid
CID 59102707
2-(pyrrolidin-3-ylmethyl)oxazinan-3-one
CID 105441244
3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid
CID 105431137
4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile
CID 150030113
3-(5-cyclopropyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)propanal
CID 105450641
2-(2-pyrrolidin-3-ylethyl)-1,2-oxazolidin-3-one
CID 105441242
2-prop-2-enoyloxazinan-3-one
CID 153363856
3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal
CID 105464244

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxooxazinan-2-yl)propanal?
The IUPAC name of 3-(3-oxooxazinan-2-yl)propanal (CID 105430622) is 3-(3-oxooxazinan-2-yl)propanal.
What is the SMILES notation for 3-(3-oxooxazinan-2-yl)propanal?
The canonical SMILES for 3-(3-oxooxazinan-2-yl)propanal is O=CCCN1OCCCC1=O.
What is the InChIKey of 3-(3-oxooxazinan-2-yl)propanal?
The InChIKey is UCZHVUKCYMKCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-2-4-8-7(10)3-1-6-11-8/h5H,1-4,6H2.
What are the key properties of 3-(3-oxooxazinan-2-yl)propanal?
3-(3-oxooxazinan-2-yl)propanal has a molecular weight of 157.17 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxooxazinan-2-yl)propanal is sourced from PubChem (CID 105430622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).